SCHEMBL6435927

SCHEMBL6435927

CC(C)(C)OC(=O)Nc1cc(N2CCOCC2)c(C(F)(F)F)cc1NC(=O)CC(=O)c1cccc(-c2cc(COC3CCCCO3)on2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.37
SCN5A Q14524 1/20 0.37
RAF1 P04049 3/20 0.35
BRAF P15056 3/20 0.35
MTOR P42345 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3C2B O00750 1/20 0.33
CHRM1 P11229 1/20 0.32
S1PR1 P21453 1/20 0.32
PRKD1 Q15139 1/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
WNT3A P56704 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
USP30 Q70CQ3 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6167900 0.96 CHRM1 (0.33) SCN9ASCN5ACHRM1USP30
SCHEMBL6434930 0.90 SCN5A (0.36) SCN9ASCN5ARAF1BRAFMTOR
SCHEMBL6606944 0.89 SCN5A (0.33) SCN9ASCN5AMEN1POLBKMT2A
SCHEMBL6167093 0.88 CCR2 (0.32) CHRM1PRKD1
SCHEMBL7237567 0.88 SCN5A (0.35) SCN9ASCN5ARAF1BRAFMTOR
SCHEMBL6435083 0.83 PLOD2 (0.35) RAF1BRAFMTORPIK3CDPIK3C2B
SCHEMBL6433297 0.81 SCN9A (0.39) SCN9ASCN5ARAF1BRAFMEN1
SCHEMBL6164138 0.81 NPC1 (0.32) POLBCHRM1PRKD1USP30
SCHEMBL6607880 0.81 CREBBP (0.33) MEN1POLBKMT2APRKD1ALDH1A1
SCHEMBL5564987 0.80 SCN9A (0.41) SCN9ASCN5ARAF1BRAFTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379522-B1 DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I HOFFMANN LA ROCHE (CH) 2005-01-26 EP disclosed
EP-1379522-A1 DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
US-6548495-B2 Metabotropic glutamate receptor agonist for treatment or prevention of acute and/or chronic neurological disorders HOFFMANN-LA ROCHE INC. 2003-04-15 US disclosed
US-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US disclosed
WO-2002083665-A1 DIHYDRO-BENZO[b][1,4]DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives BDKRB1, BDKRB2, GRIN1 SCN9A 452/4885SCN5A 144/4885RAF1 686/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.